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<H2>
History of LAMMPS</H2>
<P>
<A HREF="README.html">Return</A> to top-level of LAMMPS documentation.</P>
<P>
This is a brief history of features added to each version of LAMMPS.</P>
<HR>
<H3>
LAMMPS 99 - June 99 </H3>
<UL>
    <LI>
    all-MPI version of code (F77 + C + MPI) for maximum portablility 
    <LI>
    only one PPPM choice now, the better of the two earlier ones 
    <LI>
    PPPM uses portable FFTs and data remapping routines, written in C w/ 
    MPI, can now use non-power-of-2 processors and grid sizes 
    <LI>
    auto-mapping of simulation box to processors 
    <LI>
    removed a few unused/unneeded commands (bdump, log file, id string, 
    limit) 
    <LI>
    changed syntax of some commands for simplicity &amp; consistency (see <A
     HREF="input_commands.html">input commands</A>) 
    <LI>
    changed method of calling/writing user diagnostic routines to be simpler
    <LI>
    documentation in HTML format
</UL>
<HR>
<H3>
Version 5.0 - Oct 1997 </H3>
<UL>
    <LI>
    final version of class II force fields 
    <LI>
    new formulation of NVE, NVT, NPT and rRESPA integrators 
    <LI>
    new version of msi2lmp pre-processing tool, does not require DISCOVER 
    to run, only DISCOVER force field files 
    <LI>
    energy minimizer, Hessian-free truncated Newton method 
    <LI>
    new pressure controllers and constraints 
    <LI>
    replicate tool for generating new data files from old ones 
</UL>
<HR ALIGN="LEFT">
<H3>
Version 4.0 - March 1997 </H3>
<UL>
    <LI>
    1st version of class II force fields 
    <LI>
    new, faster PPPM solver (newpppm) 
    <LI>
    rRESPA 
    <LI>
    new data file format 
    <LI>
    new constraints, diagnostics 
    <LI>
    msi2lmp pre-processing tool 
</UL>
<HR>
<H3>
Version 3.0 - March 1996 </H3>
<UL>
    <LI>
    more general force-field formulation 
    <LI>
    atom/group constraints 
    <LI>
    LJ units and bond potentials 
    <LI>
    smoothed LJ potential option 
    <LI>
    Langevin thermostat 
    <LI>
    Newton's 3rd law option 
    <LI>
    hook for user-supplied diagnostic routines 
</UL>
<HR>
<H3>
Version 2.0 - October 1995 </H3>
<UL>
    <LI>
    bug fix of velocity initialization which caused drift 
    <LI>
    PPPM for long-range Coulombic 
    <LI>
    constant NPT 
</UL>
<HR>
<H3>
Version 1.1 - February 1995 </H3>
<UL>
    <LI>
    Ewald for long-range Coulombic 
    <LI>
    full Newton's 3rd law (doubled communication) 
    <LI>
    dumping of atom positions and velocities 
    <LI>
    restart files 
</UL>
<HR>
<H3>
Version 1.0 - January 1995 </H3>
<UL>
    <LI>
    short-range bonded and non-bonded forces 
    <LI>
    partial Newton's 3rd law 
    <LI>
    velocity-Verlet integrator 
</UL>
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